1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine

C11H16F2N2 — CID 116934030

IUPAC1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)C(N)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-7(4-5-14)11(15)9-3-2-8(12)6-10(9)13/h2-3,6-7,11H,4-5,14-15H2,1H3
InChIKeyRAAKUPOSWRYCNJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.95
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine

1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine (PubChem CID 116934030) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
PubChem CID116934030
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)C(N)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-7(4-5-14)11(15)9-3-2-8(12)6-10(9)13/h2-3,6-7,11H,4-5,14-15H2,1H3
InChIKeyRAAKUPOSWRYCNJ-UHFFFAOYSA-N
XLogP1.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
2-[(2,4-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443637
1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
CID 107893441
1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
CID 79492526
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
(2,4-difluorophenyl)methanediamine
CID 116939170
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine (CID 116934030) is 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine is CC(CCN)C(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine?
The InChIKey is RAAKUPOSWRYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(4-5-14)11(15)9-3-2-8(12)6-10(9)13/h2-3,6-7,11H,4-5,14-15H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine?
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine has a molecular weight of 214.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 116934030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).